2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one

C12H16N2OS — CID 23932325

IUPAC2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1Cc1ccncc1
InChIInChI=1S/C12H16N2OS/c1-2-3-12-14(11(15)9-16-12)8-10-4-6-13-7-5-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyZMXCOUUVRRJAAB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.28
Rot. Bonds4

About 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one

2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 23932325) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID23932325
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCC1SCC(=O)N1Cc1ccncc1
InChIInChI=1S/C12H16N2OS/c1-2-3-12-14(11(15)9-16-12)8-10-4-6-13-7-5-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyZMXCOUUVRRJAAB-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3857419
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-propyl-1,3-thiazolidin-4-one
CID 3337931
2-(2-phenyl-1H-imidazol-5-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 23825502
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
3-[(3,4-difluorophenyl)methyl]-2-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 3368532
2-(2-ethoxyphenyl)-3-(2-pyridin-4-ylethyl)-1,3-thiazolidin-4-one
CID 3871802
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (CID 23932325) is 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is CCCC1SCC(=O)N1Cc1ccncc1.
What is the InChIKey of 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is ZMXCOUUVRRJAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-3-12-14(11(15)9-16-12)8-10-4-6-13-7-5-10/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23932325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).